Casdatifan, Part I: Tetrahydroquinoline HIF-2α Inhibitor Design Data

A novel class of N-aryl-substituted tetrahydroquinolines designed to bind the HIF-2α PAS-B domain with high affinity. The 4.2 KB dataset, uploaded by Guillaume Mata to figshare in 2026, contains structural and biophysical study results that informed the discovery of the clinical-stage inhibitor casdatifan. Insights include the critical role of cis-vicinal difluorination for binding efficiency and cellular activity.

Use Cases

• Analyzing structure-activity relationships (SAR) based on the novel tetrahydroquinoline chemotype described.
• Modeling ligand-protein interactions for HIF-2α PAS-B domain inhibitors based on described conformational perturbations.
• Studying the effects of cis-vicinal difluorination on binding affinity and physicochemical properties as highlighted in the description.

Strengths

• Dataset is small (4.2 KB), facilitating quick download and initial inspection.
• Description provides specific biochemical context, linking structural features to improved cellular activity.
• Data is associated with a published research campaign that led to a named clinical-stage compound, casdatifan.

Limitations

• Row count is unknown, which may limit suitability assessment for statistical analysis.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset's 4.2 KB size suggests it is a tiny, likely summary-level dataset with limited scope.

Provenance

Source

figshare, uploaded by author Guillaume Mata.

Collection Method

Likely contains results from design, synthesis, and biophysical characterization studies as described.

Freshness

Last updated 2026-04-29 11:20:36; freshness should be verified.